5-[[3,5-dimethoxy-4-[3-[(4-nitrophenyl)amino]propoxy]phenyl]methyl]pyrimidin-2-amine

Systemtic Name: 5-[[3,5-dimethoxy-4-[3-[(4-nitrophenyl)amino]propoxy]phenyl]methyl]pyrimidin-2-amine Openeye Name: 5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidin-2-amine CAS Name: 5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]-2-pyrimidinamine IUPAC Name: 5-[[3,5-dimethoxy-4-[3-(4-nitroanilino)propoxy]phenyl]methyl]pyrimidin-2-amine Traditional Name: 3-[4-[(2-aminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenoxy]propyl-(4-nitrophenyl)amine Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3)N

InChI

InChI=1S/C22H25N5O5/c1-30-19-11-15(10-16-13-25-22(23)26-14-16)12-20(31-2)21(19)32-9-3-8-24-17-4-6-18(7-5-17)27(28)29/h4-7,11-14,24H,3,8-10H2,1-2H3,(H2,23,25,26)